Compounds

Type:
Small molecule

AlogP:
6.78

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2029125

Name:
10,13-Dimethyl-17-[methyl-(4-methyl-pentyl)-amino]-hexadecahydro-cyclopentaShow More⌵

Mol. Formula:
C26H47NO

M.W.:
389.67

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2029122

Name:
(3-Methoxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-metShow More⌵

Mol. Formula:
C27H49NO

M.W.:
403.70

Type:
Small molecule

AlogP:
6.78

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2028662

Name:
(20S)-22-Thiacholesterol

Mol. Formula:
C26H44OS

M.W.:
404.70

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
20.23

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1793878

Name:
10,13-Dimethyl-17-[1-(3-methyl-butylamino)-ethyl]-hexadecahydro-cyclopenta[Show More⌵

Mol. Formula:
C26H45NO

M.W.:
387.65

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1793877

Name:
[1-(3-Methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahShow More⌵

Mol. Formula:
C27H47NO

M.W.:
401.68

3 activity values

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1793876

Name:
10,13-Dimethyl-17-[1-(3-methyl-butylamino)-ethyl]-2,3,4,7,8,9,10,11,12,13,1Show More⌵

Mol. Formula:
C26H45NO

M.W.:
387.65

3 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1793875

Name:
10,13-Dimethyl-17-[1-(3-methyl-butylamino)-ethyl]-hexadecahydro-cyclopenta[Show More⌵

Mol. Formula:
C26H47NO

M.W.:
389.67

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1793874

Name:
[1-(3-Methoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahShow More⌵

Mol. Formula:
C27H47NO

M.W.:
401.68

3 activity values

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1793871

Name:
[1-(3-Methoxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-Show More⌵

Mol. Formula:
C27H49NO

M.W.:
403.70

Type:
Small molecule

AlogP:
6.68

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1285

Name:
3-Ethyl-3-(4-hydroxy-phenyl)-piperidine-2,6-dione

Mol. Formula:
C13H15NO3

M.W.:
233.27

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA150294

Name:
3-(4-Amino-3-hydroxy-phenyl)-3-ethyl-piperidine-2,6-dione

Mol. Formula:
C13H16N2O3

M.W.:
248.28

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
92.42

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA151281

Name:
N-[4-(3-Ethyl-2,6-dioxo-piperidin-3-yl)-phenyl]-formamide

Mol. Formula:
C14H16N2O3

M.W.:
260.29

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA150484

Name:
1-Amino-3-ethyl-3-phenyl-piperidine-2,6-dione

Mol. Formula:
C13H16N2O2

M.W.:
232.28

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
63.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA150448

Name:
1-Amino-3-(4-amino-phenyl)-3-ethyl-piperidine-2,6-dione

Mol. Formula:
C13H17N3O2

M.W.:
247.30

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
89.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA150772

Name:
N-[4-(3-Ethyl-2,6-dioxo-piperidin-3-yl)-phenyl]-acetamide

Mol. Formula:
C15H18N2O3

M.W.:
274.32

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA1283

Name:
3-Ethyl-3-(4-nitro-phenyl)-piperidine-2,6-dione

Mol. Formula:
C13H14N2O4

M.W.:
262.26

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
89.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA424330

Name:
3-(3-Amino-4-hydroxy-phenyl)-3-ethyl-piperidine-2,6-dione

Mol. Formula:
C13H16N2O3

M.W.:
248.28

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
92.42

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

m-Aminoglutethimide

Name:
3-(3-Amino-phenyl)-3-ethyl-piperidine-2,6-dione

Mol. Formula:
C13H16N2O2

M.W.:
232.28

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
72.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA151542

Name:
3-Ethyl-3-(4-hydroxy-3-nitro-phenyl)-piperidine-2,6-dione

Mol. Formula:
C13H14N2O5

M.W.:
278.26